1H-INDOLE, 1-METHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8H698ROJ5F
EPA CompTox DTXSID3060534

Structure

InChI Key BLRHMMGNCXNXJL-UHFFFAOYSA-N
Smiles Cn1ccc2c1cccc2
InChI
InChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H9N1
Molecular Weight 131.07
AlogP 2.18
Hydrogen Bond Acceptor 1.0
Polar Surface Area 4.93
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 603-76-9
NORMAN SUSDAT
FDA SRS 8H698ROJ5F
PubChem 11781
ChemSpider 11288.0
CONTENTS